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#ifndef _SHAKE_H_ |
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#define _SHAKE_H_ |
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#include "ConstraintAlgorithm.hpp" |
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#include "ConstraintPair.hpp" |
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|
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class DCShakeFunctor : public CallbackFunctor{ |
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public: |
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DCShakeFunctor(SimInfo* rhs) : CallbackFunctor(rhs){} |
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protected: |
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virtual int operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2); |
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virtual int operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB); |
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virtual int operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2); |
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private: |
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double getEffInvMass(ConstraintRigidBody* consRB, double bondDir[3]); |
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void integrate(ConstraintRigidBody* consRB, double force[3]); |
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}; |
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|
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class JCShakeFunctor : public CallbackFunctor{ |
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public: |
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JCShakeFunctor(SimInfo* rhs) : CallbackFunctor(rhs){} |
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protected: |
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virtual int operator()(ConstraintAtom* consAtom1, ConstraintAtom* consAtom2); |
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virtual int operator()(ConstraintAtom* consAtom,ConstraintRigidBody* consRB); |
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virtual int operator()(ConstraintRigidBody* consRB1, ConstraintRigidBody* consRB2); |
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}; |
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|
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|
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//SHAKE constraint algorithm |
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//Reference: |
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//[1] J.P. Ryckaert, G.Ciccotti and H.J.C. Berendsen, J. Comput. Phys., 23, 327 (1977) |
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//[2] |
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//[3] |
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class Shake : public ConstraintAlgorithm{ |
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public: |
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Shake(SimInfo* rhs) : ConstraintAlgorithm(rhs){ |
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registerCallback(typeid(DistanceConstraintPair), new DCShakeFunctor(rhs)); |
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registerCallback(typeid(JointConstraintPair), new JCShakeFunctor(rhs)); |
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} |
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}; |
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|
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//////////////////////////////////////////////////////////////////////////////// |
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//Declaration of ShakeMinAlgorithm |
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//////////////////////////////////////////////////////////////////////////////// |
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//class ShakeMinAlgorithm will encapsulate preConstraint, ShakeMinR and ShakeMinF |
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class ShakeFrameWork : public ConsAlgoFramework{ |
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public: |
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ShakeFrameWork(SimInfo* rhs) : ConsAlgoFramework(rhs){ |
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shakeAlgo = new Shake(rhs); |
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|
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} |
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|
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~ShakeFrameWork(){ |
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delete shakeAlgo; |
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} |
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|
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int doShake(){ |
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shakeAlgo->doConstrain(); |
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return shakeAlgo->haveError()? -1 : 1; |
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} |
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|
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private: |
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Shake* shakeAlgo; |
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|
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}; |
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#endif //end ifndef _SHAKE_H_ |